CID 13202141

2-dibenzothienyl(2,4-dichlorophenyl)methanone

Structural Information

Molecular Formula
C19H10Cl2OS
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H10Cl2OS/c20-12-6-7-14(16(21)10-12)19(22)11-5-8-18-15(9-11)13-3-1-2-4-17(13)23-18/h1-10H
InChIKey
UMSOVKCQUQRRBT-UHFFFAOYSA-N
Compound name
dibenzothiophen-2-yl-(2,4-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

355.98294 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99022 178.6
[M+Na]+ 378.97216 191.9
[M-H]- 354.97566 187.8
[M+NH4]+ 374.01676 197.8
[M+K]+ 394.94610 183.4
[M+H-H2O]+ 338.98020 173.7
[M+HCOO]- 400.98114 188.0
[M+CH3COO]- 414.99679 191.1
[M+Na-2H]- 376.95761 180.4
[M]+ 355.98239 187.1
[M]- 355.98349 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe